HRID2330071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID142785

4-(Trifluoromethoxy)benzyl bromide

C8H6BrF3O

HCID166653

Hydride

H-

HCID59815650

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

HCID59815655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-707432000df44aa0a7662c95d4eb5599
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[F:20][C:21]([O:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][Br:28])[cH:29][cH:30]1)([F:31])[F:32].[H-:33].[I-:36].[Na+:34].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:35].[OH:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15]([C:17](=[O:18])[OH:19])[cH:16]3)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15]([C:17](=[O:18])[OH:19])[cH:16]3)[cH:6][cH:7]1)[CH2:27][c:26]1[cH:25][cH:24][c:23]([O:22][C:21]([F:20])([F:31])[F:32])[cH:30][cH:29]1